Impact of mineral reactions and surface complexation on the transport of dissolved species in a subterranean estuary: Application of a comprehensive reactive transport modeling approach

IF 4 2区 环境科学与生态学 Q1 WATER RESOURCES Advances in Water Resources Pub Date : 2024-06-28 DOI:10.1016/j.advwatres.2024.104763
Stephan L. Seibert , Gudrun Massmann , Rena Meyer , Vincent E.A. Post , Janek Greskowiak
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Abstract

Subterranean estuaries (STE) are hotspots of biogeochemical reactions. Here, dissolved constituents in waters of terrestrial and marine origin are transformed before they discharge to the coastal oceans. The involved biogeochemical reactions are complex and non-linear, calling for the application of numerical reactive transport modeling (RTM) to improve the process understanding. The aim of this study was to assess the roles of organic matter degradation and coupled secondary mineral reactions for the fate of dissolved species in STEs of sandy beaches. A comprehensive RTM approach was applied for this purpose, accounting for the effects of ion activities, pH, pe, redox reactions, mineral equilibria (calcite, goethite, siderite, iron sulfide, hydroxyapatite and vivianite) as well as surface complexation. Results show that the STE biogeochemistry and associated species fluxes are very sensitive to the assumed reaction network. For example, inorganic carbon and pH were largely controlled by calcite and siderite dynamics, and dissolved Fe2+ and HS- were precipitated as goethite, siderite and/or iron sulfides. Moreover, PO43- concentrations were affected by both the formation of vivianite or hydroxyapatite as well as surface complexation. This work helped to establish the relative importance of some of the major biogeochemical processes in the STE. However, further field studies are needed to understand which processes play a role in real-world STEs, including an exploration of the deep subsurface of STEs. Such field-based observations will improve our conceptual process understanding, which is key to developing well-constrained RTMs.

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矿物反应和表面络合对地下河口溶解物种迁移的影响:综合反应迁移模型方法的应用
地下河口(STE)是生物地球化学反应的热点。在这里,陆地和海洋水域中的溶解成分在排入沿岸海洋之前会发生转化。其中涉及的生物地球化学反应既复杂又非线性,需要应用数值反应迁移模型(RTM)来加深对这一过程的理解。本研究的目的是评估有机物降解和耦合次生矿物反应对沙滩 STE 中溶解物种归宿的作用。为此采用了一种全面的 RTM 方法,考虑了离子活性、pH 值、pe、氧化还原反应、矿物平衡(方解石、鹅卵石、菱铁矿、硫化铁、羟基磷灰石和维维安石)以及表面络合作用的影响。结果表明,STE 生物地球化学和相关物种通量对假定的反应网络非常敏感。例如,无机碳和 pH 值在很大程度上受方解石和菱铁矿动力学的控制,而溶解的 Fe2+ 和 HS- 则以鹅卵石、菱铁矿和/或硫化铁的形式沉淀。此外,PO43- 的浓度还受到维安石或羟基磷灰石的形成以及表面络合作用的影响。这项工作有助于确定 STE 中一些主要生物地球化学过程的相对重要性。不过,要了解哪些过程在现实世界的 STE 中发挥作用,还需要进一步的实地研究,包括对 STE 的深层地下进行探索。这种基于实地的观测将提高我们对概念过程的理解,而这是制定约束良好的 RTM 的关键。
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来源期刊
Advances in Water Resources
Advances in Water Resources 环境科学-水资源
CiteScore
9.40
自引率
6.40%
发文量
171
审稿时长
36 days
期刊介绍: Advances in Water Resources provides a forum for the presentation of fundamental scientific advances in the understanding of water resources systems. The scope of Advances in Water Resources includes any combination of theoretical, computational, and experimental approaches used to advance fundamental understanding of surface or subsurface water resources systems or the interaction of these systems with the atmosphere, geosphere, biosphere, and human societies. Manuscripts involving case studies that do not attempt to reach broader conclusions, research on engineering design, applied hydraulics, or water quality and treatment, as well as applications of existing knowledge that do not advance fundamental understanding of hydrological processes, are not appropriate for Advances in Water Resources. Examples of appropriate topical areas that will be considered include the following: • Surface and subsurface hydrology • Hydrometeorology • Environmental fluid dynamics • Ecohydrology and ecohydrodynamics • Multiphase transport phenomena in porous media • Fluid flow and species transport and reaction processes
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